7HN9
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1787761777
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-07-04 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92134 |
| Spacegroup name | I 4 |
| Unit cell lengths | 95.319, 95.319, 45.813 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.400 - 1.220 |
| R-factor | 0.1783 |
| Rwork | 0.177 |
| R-free | 0.19490 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.791 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 67.400 | 67.400 | 1.240 |
| High resolution limit [Å] | 1.220 | 6.680 | 1.220 |
| Rmerge | 0.063 | 0.034 | 1.027 |
| Rmeas | 0.066 | 0.036 | 1.300 |
| Rpim | 0.019 | 0.011 | 0.780 |
| Total number of observations | 583026 | 5096 | 3668 |
| Number of reflections | 56423 | 407 | 1594 |
| <I/σ(I)> | 19.2 | 97.5 | 0.6 |
| Completeness [%] | 92.3 | 99.9 | 53.2 |
| Redundancy | 10.3 | 12.5 | 2.3 |
| CC(1/2) | 0.998 | 0.980 | 0.350 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 4 % PEG 400, 2 M AmmSO4, 0.1 M HEPES pH 8 |
